(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

C23H21N3O2 — CID 92710137

IUPAC(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(-c3ccno3)cc2)n2cccc2)c1
InChIInChI=1S/C23H21N3O2/c1-17-5-4-6-19(15-17)21(26-13-2-3-14-26)16-23(27)25-20-9-7-18(8-10-20)22-11-12-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyZKXPGGFCRLCDFW-NRFANRHFSA-N
MW371.44 g/mol
LogP5.07
Rot. Bonds6

About (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide

(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (PubChem CID 92710137) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
PubChem CID92710137
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
SMILESCc1cccc([C@H](CC(=O)Nc2ccc(-c3ccno3)cc2)n2cccc2)c1
InChIInChI=1S/C23H21N3O2/c1-17-5-4-6-19(15-17)21(26-13-2-3-14-26)16-23(27)25-20-9-7-18(8-10-20)22-11-12-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1
InChIKeyZKXPGGFCRLCDFW-NRFANRHFSA-N
XLogP5.07
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 92709784
3-(2-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide
CID 46342975
(3R)-3-(3-methylphenyl)-N-phenyl-3-pyrrol-1-ylpropanamide
CID 92710134
(3S)-N-(3,4-difluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710105
(3S)-N-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709831
(3R)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709615
3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46342886
(3S)-3-(3-methoxyphenyl)-N-(4-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92709616
(3R)-3-(3-fluorophenyl)-N-(4-fluorophenyl)-3-pyrrol-1-ylpropanamide
CID 92709390
(3S)-N-(4-chloro-2-fluorophenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 92710109
(3R)-3-(3-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 92709799
N-(2-methoxyphenyl)-3-(3-methylphenyl)-3-pyrrol-1-ylpropanamide
CID 46343061

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The IUPAC name of (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide (CID 92710137) is (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide.
What is the SMILES notation for (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The canonical SMILES for (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is Cc1cccc([C@H](CC(=O)Nc2ccc(-c3ccno3)cc2)n2cccc2)c1.
What is the InChIKey of (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
The InChIKey is ZKXPGGFCRLCDFW-NRFANRHFSA-N. The full InChI is InChI=1S/C23H21N3O2/c1-17-5-4-6-19(15-17)21(26-13-2-3-14-26)16-23(27)25-20-9-7-18(8-10-20)22-11-12-24-28-22/h2-15,21H,16H2,1H3,(H,25,27)/t21-/m0/s1.
What are the key properties of (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide?
(3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide has a molecular weight of 371.44 g/mol, XLogP of 5.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3-methylphenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-3-pyrrol-1-ylpropanamide is sourced from PubChem (CID 92710137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).